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Electronic Structure And Chemical Bonding
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Book Synopsis Electronic Structure and the Properties of Solids by : Walter A. Harrison
Download or read book Electronic Structure and the Properties of Solids written by Walter A. Harrison and published by Dover Books on Physics. This book was released on 1989-07 with total page 612 pages. Available in PDF, EPUB and Kindle. Book excerpt: Part I. Electron states 1. The quantum-mechanical basis A. Quantum mechanics B. Electronic structure of atoms C. Electronic structure of small molecules D. The simple polar bond E. Diatomic molecules 2. Electronic structure of solids A. Energy bands B. Electron dynamics C. Characteristic solid types D. Solid state matrix elements E. Calculation of spectra Part II. Covalent solids 3. Electronic structure of simple tetrahedral solids A. Crystal structures B. Bond orbitals C. The LCAO bands D. The bond orbital approximation and extended bond orbitals E. Metallicity F. Planar and filamentary structures 4. Optical spectra A. Dielectric susceptibility B. Optical properties and oscillator strengths C. Features of the absorption spectrum D. chi subscript 1 and the dielectric constant 5. Other dielectric properties A. Bond dipoles and higher-order susceptibilities B. Effective atomic charge C. Dielectric screening D. Ternary compounds E. Magnetic susceptibility 6. The energy bands A. Accurate band structures B. LCAO Interpretation of the bands C. The conduction bands D. Effective masses E. Impurity states and excitons 7. The total energy A. The overlap interaction B. Bond length, cohesive energy, and the bulk modulus C. Cohesion in polar covalent solids 8. Elasticity A. Total energy calculations B. Rigid hybrids C. Rehybridization D. The Valence force field E. Internal displacements, and prediction of c subscript 44 9. Lattice Vibrations A. The Vibration spectrum B. Long range forces C. Phonons and the specific heat D. The transverse charge E. Piezoelectricity F. The Electron-phonon interaction 10. Surfaces and defects A. Surface energy and crystal shapes B. Surface reconstruction C. The elimination of surface states, and Fermi level pinning D. Adsorption of atoms and the 7 x 7 reconstruction pattern E. Defects and amorphous semiconductors F. Photothresholds and heterojunctions 11. Mixed tetrahedral solids A. Tetrahedral complexes B. The crystal structure and the simple molecular lattice C. The bonding unit D. Bands and electronic spectra E. Mechanical properties F. Vibrational spectra G. Coupling of vibrations to the infrared Part III Closed-shell systems 12. Inert-gas solids A. Interatomic interactions B. Electronic properties 13. Ionic compounds A. The crystal structure B. Electrostatic energy and the Madelung potential C. Ion-Ion Interactions D. Cohesion and Mechanical Properties E. Structure Determination and Ionic Radii 14. Dielectric properties of ionic crystals A. Electronic structure and spectra B. Dielectric susceptibility C. Effective charges and ion softening D. Surfaces and molten ionic compounds Part IV Open-shell systems 15. Simple metals A. History of the theory B. The Free-electron theory of metals C. Electrostatic energy D. The empty-core pseudopotential E. Free-electron energy F. Density, bulk modulus, and cohesion 16. Electronic structure of metals A. Pseudopotential perturbation theory B. Pseudopotentials in the perfect lattice C. Electron diffraction by pseudopotentials D. Nearly-free-electron bands and Fermi surfaces E. Scattering by defects F. Screening 17. Mechanical properties of metals A. The band-structure energy B. The effective interaction between ions, and higher-order terms C. The phonon spectrum D. The electron-phonon interaction and the electron-phonon coupling constant E. Surfaces and liquids 18. Pseudopotential theory of covalent bonding A. The prediction of interatomic matrix elements B. The Jones zone gap C. Covalent and polar contributions D. Susceptibility E. Bonding properties F. Ionic bonding G. Interfaces and Heterojunctions 19. Transition-metal compounds A. d States in solids B. Monoxides: Miltiplet d States C. Perovskite structures d Bands D. Other compounds E. The Perovskite ghost F. The chemical grip G. The electrostatic stability of Perovskites H. The electron-phonon interaction 20 Transition metals A. The bands B. The electronic properties and density of states C. Cohesion, bond length, and compressibility D. Muffin-Tin Orbitals and the Atomic Sphere Approximation E. d Resonances and transition-metal pseudopotentials F. Local moments and magnetism Appendix A. The One-electron approximation Appendix B. Nonorthogonality of basis states Appendix C. The overlap interaction Appendix D. Quantum-mechanical formulation of pseudopotentials Appendix E. Orbital corrections Solid state table of the elements Bibliography and author index Subject index.
Book Synopsis Electronic Structure and Chemical Bonding by : J. R. Lalanne
Download or read book Electronic Structure and Chemical Bonding written by J. R. Lalanne and published by World Scientific. This book was released on 1996 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book addresses the problem of teaching the Electronic Structure and Chemical Bonding of atoms and molecules to high school and university students. It presents the outcomes of thorough investigations of some teaching methods as well as an unconventional didactical approach which were developed during a seminar for further training organized by the University of Bordeaux I for teachers of the physical sciences.The text is the result of a collective effort by eleven scientists and teachers: physicists and chemists doing research at the university or at the CRNS, university professors, and science teachers at high-school or university level.While remaining wide open to the latest discoveries of science, the text also offers a large number of problems along with their solutions and is illustrated by several pedagogic suggestions. It is intended for the use of teachers and students of physics, chemistry, and of the physical sciences in general.
Book Synopsis Electronic Structure and Chemical Bonding by : Sebera
Download or read book Electronic Structure and Chemical Bonding written by Sebera and published by . This book was released on 1964-06-01 with total page 298 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Electronic Structure and the Properties of Solids by : Walter A. Harrison
Download or read book Electronic Structure and the Properties of Solids written by Walter A. Harrison and published by Courier Corporation. This book was released on 2012-03-08 with total page 610 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text offers basic understanding of the electronic structure of covalent and ionic solids, simple metals, transition metals and their compounds; also explains how to calculate dielectric, conducting, bonding properties.
Book Synopsis Chemical Bonding at Surfaces and Interfaces by : Anders Nilsson
Download or read book Chemical Bonding at Surfaces and Interfaces written by Anders Nilsson and published by Elsevier. This book was released on 2011-08-11 with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular surface science has made enormous progress in the past 30 years. The development can be characterized by a revolution in fundamental knowledge obtained from simple model systems and by an explosion in the number of experimental techniques. The last 10 years has seen an equally rapid development of quantum mechanical modeling of surface processes using Density Functional Theory (DFT). Chemical Bonding at Surfaces and Interfaces focuses on phenomena and concepts rather than on experimental or theoretical techniques. The aim is to provide the common basis for describing the interaction of atoms and molecules with surfaces and this to be used very broadly in science and technology. The book begins with an overview of structural information on surface adsorbates and discusses the structure of a number of important chemisorption systems. Chapter 2 describes in detail the chemical bond between atoms or molecules and a metal surface in the observed surface structures. A detailed description of experimental information on the dynamics of bond-formation and bond-breaking at surfaces make up Chapter 3. Followed by an in-depth analysis of aspects of heterogeneous catalysis based on the d-band model. In Chapter 5 adsorption and chemistry on the enormously important Si and Ge semiconductor surfaces are covered. In the remaining two Chapters the book moves on from solid-gas interfaces and looks at solid-liquid interface processes. In the final chapter an overview is given of the environmentally important chemical processes occurring on mineral and oxide surfaces in contact with water and electrolytes. Gives examples of how modern theoretical DFT techniques can be used to design heterogeneous catalysts This book suits the rapid introduction of methods and concepts from surface science into a broad range of scientific disciplines where the interaction between a solid and the surrounding gas or liquid phase is an essential component Shows how insight into chemical bonding at surfaces can be applied to a range of scientific problems in heterogeneous catalysis, electrochemistry, environmental science and semiconductor processing Provides both the fundamental perspective and an overview of chemical bonding in terms of structure, electronic structure and dynamics of bond rearrangements at surfaces
Book Synopsis Electronic Structure and Chemical Bonding by : Donald Keith Sebera
Download or read book Electronic Structure and Chemical Bonding written by Donald Keith Sebera and published by . This book was released on 1964 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Perspectives in Electronic Structure Theory by : Roman F. Nalewajski
Download or read book Perspectives in Electronic Structure Theory written by Roman F. Nalewajski and published by Springer Science & Business Media. This book was released on 2012-03-23 with total page 727 pages. Available in PDF, EPUB and Kindle. Book excerpt: The understanding in science implies insights from several different points of view. Alternative modern outlooks on electronic structure of atoms and molecules, all rooted in quantum mechanics, are presented in a single text. Together these complementary perspectives provide a deeper understanding of the localization of electrons and bonds, the origins of chemical interaction and reactivity behavior, the interaction between the geometric and electronic structure of molecules, etc. In the opening two parts the basic principles and techniques of the contemporary computational and conceptual quantum chemistry are presented, within both the wave-function and electron-density theories. This background material is followed by a discussion of chemical concepts, including stages of the bond-formation processes, chemical valence and bond-multiplicity indices, the hardness/softness descriptors of molecules and reactants, and general chemical reactivity/stability principles. The insights from Information Theory, the basic elements of which are briefly introduced, including the entropic origins and Orbital Communication Theory of the chemical bond, are the subject of Part IV. The importance of the non-additive (interference) information tools in exploring patterns of chemical bonds and their covalent and ionic components will be emphasized.
Book Synopsis Chemical Structure and Bonding by : Roger L. DeKock
Download or read book Chemical Structure and Bonding written by Roger L. DeKock and published by University Science Books. This book was released on 1989 with total page 516 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Designed for use in inorganic, physical, and quantum chemistry courses, this textbook includes numerous questions and problems at the end of each chapter and an Appendix with answers to most of the problems."--
Book Synopsis Theoretical Models of Chemical Bonding by : Zvonimir B. Maksic
Download or read book Theoretical Models of Chemical Bonding written by Zvonimir B. Maksic and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 643 pages. Available in PDF, EPUB and Kindle. Book excerpt: The renowned theoretical physicist Victor F. Weisskopf rightly pointed out that a real understanding of natural phenomena implies a clear distinction between the essential and the peripheral. Only when we reach such an understanding - that is to say when we are able to separate the relevant from the irrelevant, will the phenomena no longer appear complex, but intelectually transparent. This statement, which is generally valid, reflects the very essence ofmodelling in the quantum theory of matter, on the molecular level in particular. Indeed, without theoretical models one would be swamped by too many details embodied in intricate accurate molecular wavefunctions. Further, physically justified simplificqtions enable studies of the otherwise intractable systems and/or phenomena. Finally, a lack of appropriate models would leave myriads of raw experimental data totally unrelated and incomprehensible. The present series ofbooks dwells on the most important models of chemical bonding and on the variety of its manifestations. In this volume the electronic structure and properties of molecules are considered in depth. Particular attention is focused on the nature of intramolecular interactions which in turn are revealed by various types ofmolecular spectroscopy. Emphasis is put on the conceptual and interpretive aspects of the theory in line with the general philosophy adopted in the series.
Book Synopsis Electronic Structure and the Properties of Solids by : Walter Ashley Harrison
Download or read book Electronic Structure and the Properties of Solids written by Walter Ashley Harrison and published by . This book was released on 1989 with total page 586 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Unified Valence Bond Theory of Electronic Structure by : N. D. Epiotis
Download or read book Unified Valence Bond Theory of Electronic Structure written by N. D. Epiotis and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 314 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Electronic Structure of Materials by : Adrian P. Sutton
Download or read book Electronic Structure of Materials written by Adrian P. Sutton and published by Clarendon Press. This book was released on 1993-09-30 with total page 282 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes the modern real-space approach to electronic structures and properties of crystalline and non-crystalline materials in a form readily accessible to undergraduates in materials science, physics, and chemistry. - ;This book describes the modern real-space approach to electronic structures and properties of crystalline and non-crystalline materials in a form readily accessible to undergraduates in materials science, physics, and chemistry. -
Book Synopsis Electronic Structure and Chemical Binding by : Oscar Knefler Rice
Download or read book Electronic Structure and Chemical Binding written by Oscar Knefler Rice and published by . This book was released on 1969 with total page 550 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Unified Valence Bond Theory of Electronic Structure by : N. D. Epiotis
Download or read book Unified Valence Bond Theory of Electronic Structure written by N. D. Epiotis and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 598 pages. Available in PDF, EPUB and Kindle. Book excerpt: The bond diagrammatic representation of molecules is the foundation of MOVB theory. To a certain extent, this kind of representation is analogous to the one on which "resonance theory" is based and this fact can be projected by a comparison of the various ways in which MOVB theory depicts a species made up of three core and two ligand MO's which define two subsystems containing a total of six electrons and the ways in which "resonance theory" (i. e. , qualitative VB theory) depicts a six-electron-six-AO species such as the pi system of CH =CH-CH=CH-CH=O. The 2 different pictorial representations are shown in Scheme 1 so that the analogies are made evident. First of all, the total MOVB diagrammatic representation of the 6/5 species is obtained by a linear combination of three complete bond diagrams, as in Al, which describe the optimal linear combination of!l! MOVB Configuration Wavefunctions (CW's). By the same token, a total VB diagrammatic representation of the 6/6 species can be obtained by writing a "dot structure", as in Bl, and taking this to mean the optimal linear combination of all VB CW's. Next, we can approxi mate the MOVB wavefunction of the 6/5 species by one complete (or detailed) bond dia gram" (A2). No simple VB representation analogy can be given in this case. Alterna tively, we can approximate the MOVB wavefunction by a linear combination of compact bond diagrams, as in A3, in the way described before.
Book Synopsis Electronic Structure and Chemical Bonding by : J R Lalanne
Download or read book Electronic Structure and Chemical Bonding written by J R Lalanne and published by World Scientific. This book was released on 1996-09-20 with total page 308 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book addresses the problem of teaching the Electronic Structure and Chemical Bonding of atoms and molecules to high school and university students. It presents the outcomes of thorough investigations of some teaching methods as well as an unconventional didactical approach which were developed during a seminar for further training organized by the University of Bordeaux I for teachers of the physical sciences. The text is the result of a collective effort by eleven scientists and teachers: physicists and chemists doing research at the university or at the CRNS, university professors, and science teachers at high-school or university level. While remaining wide open to the latest discoveries of science, the text also offers a large number of problems along with their solutions and is illustrated by several pedagogic suggestions. It is intended for the use of teachers and students of physics, chemistry, and of the physical sciences in general. Contents:Historical Survey:Main Events in the History of Chemical BondingTheoretical Bases for the Description of Molecular Electronic Structure and Chemical Bonding: Quantum Mechanics and Molecular Symmetry:Quantum Bases of Chemical BondingMolecular Symmetry, Its Description and ConsequencesTwo Complementary Descriptions of Chemical Bonding: Mechanical Aspect of Chemical Bonding:BasicsApplicationsLanguage of Orbitals and Chemical Bonding: Applications and Limits:One-Electron Treatment of Many-Electron ParticlesChemical Bonding in Terms of MO LanguageBeyond the One-Electron DescriptionIndex Readership: Physicists and chemists, graduate and undergraduate students in chemical physics. keywords:
Download or read book Clusters written by Minh Tho Nguyen and published by Springer. This book was released on 2017-01-31 with total page 363 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of atomic clusters continues to attract great interest amongst physicists and chemists alike. This is in part due to their intrinsic properties and potential industrial applications. The first part of Binary Clusters is devoted to recent developments in experimental techniques, the second part covers a variety of theoretical approaches. Different theoretical methods based on group/graph theories and quantum chemical computational methods as well as various spectroscopy techniques (such as mass, laser, infrared, photoelectron etc.) are applied to the determination of the existence of geometrical and electronic structures, chemical bonding phenomena, and the thermodynamic stabilities of several classes of binary clusters. All chapters within this review volume have been contributed by experts in chemistry, physics, and material sciences based at the University of Leuven, Belgium. This book is aimed at professionals and students working in cluster science.
Book Synopsis Chemical Bonding by : Richard Dronskowski
Download or read book Chemical Bonding written by Richard Dronskowski and published by Walter de Gruyter GmbH & Co KG. This book was released on 2023-10-04 with total page 186 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modern DFT simulations of solids and molecules are typically based on the mighty plane-wave pseudopotential combination. Despite being numerically efficient, it does not allow for chemical conclusions unless the electronic structure is unitarily transformed into atomic orbitals. This primer for chemists and as well for physicists and engineers shows how to simply extract the chemistry and, hence, truly understand a plethora of real-world materials The goal of this humorous primer entertaining to read is to truly serve but not repel the reader. Recent in-person and also virtual summer schools in Europe and Asia have demonstrated the need for such a primer, also to be used for self-training
